SCHEMBL28056371

SCHEMBL28056371

Brc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(Br)cc2)cc1.O=C1C=CC=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 3/20 0.45
PTPRC P08575 1/20 0.40
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
SLC6A3 Q01959 1/20 0.36
NPC1 O15118 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B3 P37058 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOB P27338 2/20 0.36
KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27922948 0.84 ALDH1A1 (0.58) MAPK1ALDH1A1PTPRCHDAC4HDAC2
SCHEMBL27578855 0.81 ALDH1A1 (0.56) MAPK1ALDH1A1HDAC4HDAC2HDAC8
SCHEMBL29168515 0.80 ALDH1A1 (0.64) MAPK1ALDH1A1PTPRCLMNAMAPT
SCHEMBL706912 0.80 ALDH1A1 (0.48) MAPK1ALDH1A1PTPRCLMNAMAPT
SCHEMBL28056373 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAOBMGLL
SCHEMBL28056370 0.79 ALDH1A1 (0.48) MAPK1ALDH1A1PTPRCLMNAMAPT
SCHEMBL27988868 0.76 HDAC4 (0.35) PTPRCHDAC4HDAC2HDAC8HDAC6
SCHEMBL24117506 0.75 ALDH1A1 (0.44) MAPK1ALDH1A1HDAC4HDAC2HDAC8
SCHEMBL28789264 0.74 ALDH1A1 (0.52) MAPK1ALDH1A1PTPRCMAPTHTT
SCHEMBL24972613 0.74 CYP2A6 (0.52) MAPK1ALDH1A1PTPRCLMNASLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105504186-A Preparing method and application of 3,4-bi(4-cyanophenyl)-2,5-diphenyl phenyl grafted polysiloxane UNIV SHANDONG 2016-04-20 CN claimed
CN-105504186-A Preparing method and application of 3,4-bi(4-cyanophenyl)-2,5-diphenyl phenyl grafted polysiloxane UNIV SHANDONG 2016-04-20 CN disclosed